Calculations of electronic structure, elastic properties for YxGa1−xN and band offsets of YxGa1−xN/ScyGa1−yN heterointerfaces
| Autor: | Y Oussaifi, M. Debbichi, Nadir Bouarissa, Moncef Said, A. Ben Fredj |
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| Rok vydání: | 2008 |
| Předmět: |
Bulk modulus
Valence (chemistry) Condensed matter physics Chemistry Composition dependence Mineralogy Electronic structure Condensed Matter Physics Electronic Optical and Magnetic Materials Shear modulus Pseudopotential Condensed Matter::Materials Science Materials Chemistry Electrical and Electronic Engineering Electronic band structure Ternary operation |
| Zdroj: | Semiconductor Science and Technology. 23:095019 |
| ISSN: | 1361-6641 0268-1242 |
| DOI: | 10.1088/0268-1242/23/9/095019 |
| Popis: | Using the pseudopotential scheme under the virtual crystal approximation combined with the Harrison bond-orbital model, we report a theoretical investigation of the electronic and elastic properties of YxGa1−xN ternary alloys in the zinc-blende structure. Besides, band offsets calculations for pseudomorphically strained YxGa1−xN/ScyGa1−yN interfaces have been performed on the basis of the model solid theory. Our results agree generally well with the available experimental and previously published theoretical data. The composition dependence of the selected features of YxGa1−xN such as energy band gaps, effective masses, elastic constants, bulk modulus, shear modulus, internal strain parameter, and valence and conduction band offsets has been examined. To the author's best knowledge, there had been no reported work on these properties for the material under load. |
| Databáze: | OpenAIRE |
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